USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -170:sc= -0.241 (180deg=-0.457) USER MOD Single : A 6 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.11) USER MOD Single : A 8 SER OG : rot 180:sc= -0.531 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 14 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0962 K(o=-0.096,f=-0.97) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.765 K(o=-0.76,f=-6.5!) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0341) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.493 -9.688 1.263 1.00 0.00 N ATOM 2 CA ASP A 1 -15.623 -9.378 0.143 1.00 0.00 C ATOM 3 C ASP A 1 -16.218 -8.213 -0.651 1.00 0.00 C ATOM 4 O ASP A 1 -15.582 -7.691 -1.565 1.00 0.00 O ATOM 5 CB ASP A 1 -15.492 -10.573 -0.802 1.00 0.00 C ATOM 6 CG ASP A 1 -15.478 -11.942 -0.114 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.667 -12.095 0.824 1.00 0.00 O ATOM 8 OD2 ASP A 1 -16.278 -12.802 -0.543 1.00 0.00 O ATOM 0 H1 ASP A 1 -16.015 -10.358 1.899 1.00 0.00 H new ATOM 0 H2 ASP A 1 -16.714 -8.815 1.783 1.00 0.00 H new ATOM 0 H3 ASP A 1 -17.374 -10.113 0.911 1.00 0.00 H new ATOM 0 HA ASP A 1 -14.641 -9.124 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -16.319 -10.548 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -14.573 -10.463 -1.378 1.00 0.00 H new ATOM 12 N ALA A 2 -17.430 -7.837 -0.272 1.00 0.00 N ATOM 13 CA ALA A 2 -18.118 -6.744 -0.937 1.00 0.00 C ATOM 14 C ALA A 2 -18.320 -5.596 0.054 1.00 0.00 C ATOM 15 O ALA A 2 -17.419 -5.274 0.828 1.00 0.00 O ATOM 16 CB ALA A 2 -19.440 -7.249 -1.519 1.00 0.00 C ATOM 0 H ALA A 2 -17.954 -8.270 0.488 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.521 -6.364 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.955 -6.428 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.241 -8.043 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.067 -7.636 -0.716 1.00 0.00 H new ATOM 22 N GLU A 3 -19.506 -5.010 -0.002 1.00 0.00 N ATOM 23 CA GLU A 3 -19.836 -3.904 0.882 1.00 0.00 C ATOM 24 C GLU A 3 -19.276 -2.593 0.325 1.00 0.00 C ATOM 25 O GLU A 3 -19.987 -1.593 0.249 1.00 0.00 O ATOM 26 CB GLU A 3 -19.322 -4.163 2.299 1.00 0.00 C ATOM 27 CG GLU A 3 -19.973 -3.207 3.302 1.00 0.00 C ATOM 28 CD GLU A 3 -21.183 -3.860 3.973 1.00 0.00 C ATOM 29 OE1 GLU A 3 -20.992 -4.952 4.551 1.00 0.00 O ATOM 30 OE2 GLU A 3 -22.274 -3.253 3.893 1.00 0.00 O ATOM 0 H GLU A 3 -20.251 -5.279 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.921 -3.818 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.533 -5.194 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.239 -4.041 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.245 -2.917 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.283 -2.295 2.792 1.00 0.00 H new ATOM 35 N PHE A 4 -18.006 -2.642 -0.050 1.00 0.00 N ATOM 36 CA PHE A 4 -17.342 -1.471 -0.597 1.00 0.00 C ATOM 37 C PHE A 4 -18.123 -0.902 -1.782 1.00 0.00 C ATOM 38 O PHE A 4 -18.086 0.300 -2.036 1.00 0.00 O ATOM 39 CB PHE A 4 -15.964 -1.924 -1.081 1.00 0.00 C ATOM 40 CG PHE A 4 -14.976 -2.228 0.049 1.00 0.00 C ATOM 41 CD1 PHE A 4 -15.413 -2.288 1.335 1.00 0.00 C ATOM 42 CD2 PHE A 4 -13.663 -2.441 -0.234 1.00 0.00 C ATOM 43 CE1 PHE A 4 -14.498 -2.571 2.384 1.00 0.00 C ATOM 44 CE2 PHE A 4 -12.748 -2.723 0.814 1.00 0.00 C ATOM 45 CZ PHE A 4 -13.184 -2.782 2.100 1.00 0.00 C ATOM 0 H PHE A 4 -17.420 -3.474 0.014 1.00 0.00 H new ATOM 0 HA PHE A 4 -17.271 -0.694 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -16.082 -2.816 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.542 -1.149 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -16.456 -2.120 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -13.316 -2.396 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -14.845 -2.619 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.705 -2.891 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.487 -2.996 2.897 1.00 0.00 H new ATOM 54 N ARG A 5 -18.814 -1.794 -2.478 1.00 0.00 N ATOM 55 CA ARG A 5 -19.603 -1.395 -3.631 1.00 0.00 C ATOM 56 C ARG A 5 -20.305 -0.063 -3.359 1.00 0.00 C ATOM 57 O ARG A 5 -20.374 0.797 -4.235 1.00 0.00 O ATOM 58 CB ARG A 5 -20.652 -2.456 -3.973 1.00 0.00 C ATOM 59 CG ARG A 5 -21.970 -2.178 -3.250 1.00 0.00 C ATOM 60 CD ARG A 5 -22.986 -3.291 -3.514 1.00 0.00 C ATOM 61 NE ARG A 5 -24.310 -2.907 -2.976 1.00 0.00 N ATOM 62 CZ ARG A 5 -25.192 -2.136 -3.627 1.00 0.00 C ATOM 63 NH1 ARG A 5 -24.897 -1.663 -4.846 1.00 0.00 N ATOM 64 NH2 ARG A 5 -26.369 -1.838 -3.061 1.00 0.00 N ATOM 0 H ARG A 5 -18.843 -2.791 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 5 -18.924 -1.285 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -20.820 -2.472 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -20.281 -3.442 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -21.790 -2.092 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -22.377 -1.223 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -23.061 -3.480 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -22.651 -4.218 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 5 -24.568 -3.251 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -24.001 -1.890 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -25.568 -1.076 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -26.595 -2.198 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -27.040 -1.251 -3.557 1.00 0.00 H new ATOM 75 N HIS A 6 -20.809 0.065 -2.140 1.00 0.00 N ATOM 76 CA HIS A 6 -21.505 1.277 -1.742 1.00 0.00 C ATOM 77 C HIS A 6 -20.613 2.491 -2.008 1.00 0.00 C ATOM 78 O HIS A 6 -20.838 3.234 -2.963 1.00 0.00 O ATOM 79 CB HIS A 6 -21.963 1.186 -0.286 1.00 0.00 C ATOM 80 CG HIS A 6 -23.257 1.912 -0.002 1.00 0.00 C ATOM 81 ND1 HIS A 6 -23.751 2.092 1.278 1.00 0.00 N ATOM 82 CD2 HIS A 6 -24.151 2.502 -0.846 1.00 0.00 C ATOM 83 CE1 HIS A 6 -24.893 2.760 1.195 1.00 0.00 C ATOM 84 NE2 HIS A 6 -25.140 3.013 -0.122 1.00 0.00 N ATOM 0 H HIS A 6 -20.749 -0.650 -1.415 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.409 1.395 -2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.081 0.136 -0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.182 1.593 0.356 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.069 2.546 -1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.518 3.053 2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -25.950 3.512 -0.490 1.00 0.00 H new ATOM 92 N ASP A 7 -19.618 2.655 -1.148 1.00 0.00 N ATOM 93 CA ASP A 7 -18.692 3.766 -1.280 1.00 0.00 C ATOM 94 C ASP A 7 -18.378 3.992 -2.759 1.00 0.00 C ATOM 95 O ASP A 7 -18.771 5.007 -3.332 1.00 0.00 O ATOM 96 CB ASP A 7 -17.375 3.472 -0.558 1.00 0.00 C ATOM 97 CG ASP A 7 -17.523 2.923 0.863 1.00 0.00 C ATOM 98 OD1 ASP A 7 -17.959 1.757 0.977 1.00 0.00 O ATOM 99 OD2 ASP A 7 -17.199 3.681 1.802 1.00 0.00 O ATOM 0 H ASP A 7 -19.433 2.037 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 7 -19.158 4.647 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -16.806 2.756 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.788 4.390 -0.517 1.00 0.00 H new ATOM 103 N SER A 8 -17.675 3.030 -3.337 1.00 0.00 N ATOM 104 CA SER A 8 -17.305 3.111 -4.740 1.00 0.00 C ATOM 105 C SER A 8 -16.737 4.498 -5.051 1.00 0.00 C ATOM 106 O SER A 8 -15.522 4.686 -5.063 1.00 0.00 O ATOM 107 CB SER A 8 -18.503 2.813 -5.644 1.00 0.00 C ATOM 108 OG SER A 8 -18.439 3.536 -6.870 1.00 0.00 O ATOM 0 H SER A 8 -17.351 2.189 -2.859 1.00 0.00 H new ATOM 0 HA SER A 8 -16.541 2.359 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.541 1.744 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.425 3.068 -5.121 1.00 0.00 H new ATOM 0 HG SER A 8 -19.220 3.317 -7.420 1.00 0.00 H new ATOM 113 N GLY A 9 -17.644 5.431 -5.297 1.00 0.00 N ATOM 114 CA GLY A 9 -17.248 6.794 -5.609 1.00 0.00 C ATOM 115 C GLY A 9 -15.988 7.190 -4.835 1.00 0.00 C ATOM 116 O GLY A 9 -15.205 8.016 -5.300 1.00 0.00 O ATOM 0 H GLY A 9 -18.651 5.271 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -17.066 6.888 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -18.060 7.478 -5.363 1.00 0.00 H new ATOM 120 N TYR A 10 -15.834 6.582 -3.668 1.00 0.00 N ATOM 121 CA TYR A 10 -14.682 6.859 -2.826 1.00 0.00 C ATOM 122 C TYR A 10 -13.472 6.029 -3.260 1.00 0.00 C ATOM 123 O TYR A 10 -12.440 6.581 -3.639 1.00 0.00 O ATOM 124 CB TYR A 10 -15.088 6.448 -1.409 1.00 0.00 C ATOM 125 CG TYR A 10 -14.085 5.521 -0.720 1.00 0.00 C ATOM 126 CD1 TYR A 10 -13.011 6.052 -0.037 1.00 0.00 C ATOM 127 CD2 TYR A 10 -14.256 4.153 -0.782 1.00 0.00 C ATOM 128 CE1 TYR A 10 -12.068 5.178 0.612 1.00 0.00 C ATOM 129 CE2 TYR A 10 -13.313 3.279 -0.134 1.00 0.00 C ATOM 130 CZ TYR A 10 -12.266 3.834 0.532 1.00 0.00 C ATOM 131 OH TYR A 10 -11.374 3.010 1.144 1.00 0.00 O ATOM 0 H TYR A 10 -16.488 5.899 -3.285 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.402 7.910 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -15.214 7.345 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -16.058 5.952 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -12.877 7.123 0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.097 3.738 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.222 5.580 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.435 2.207 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.641 2.077 1.005 1.00 0.00 H new ATOM 140 N GLU A 11 -13.640 4.716 -3.188 1.00 0.00 N ATOM 141 CA GLU A 11 -12.575 3.805 -3.567 1.00 0.00 C ATOM 142 C GLU A 11 -11.963 4.231 -4.904 1.00 0.00 C ATOM 143 O GLU A 11 -10.747 4.378 -5.016 1.00 0.00 O ATOM 144 CB GLU A 11 -13.083 2.364 -3.632 1.00 0.00 C ATOM 145 CG GLU A 11 -13.849 2.109 -4.932 1.00 0.00 C ATOM 146 CD GLU A 11 -14.394 0.680 -4.976 1.00 0.00 C ATOM 147 OE1 GLU A 11 -15.377 0.424 -4.248 1.00 0.00 O ATOM 148 OE2 GLU A 11 -13.816 -0.124 -5.738 1.00 0.00 O ATOM 0 H GLU A 11 -14.498 4.263 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.798 3.848 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.242 1.675 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.731 2.165 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.672 2.819 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.191 2.278 -5.785 1.00 0.00 H new ATOM 153 N VAL A 12 -12.834 4.415 -5.884 1.00 0.00 N ATOM 154 CA VAL A 12 -12.395 4.819 -7.209 1.00 0.00 C ATOM 155 C VAL A 12 -11.777 6.217 -7.131 1.00 0.00 C ATOM 156 O VAL A 12 -11.014 6.613 -8.012 1.00 0.00 O ATOM 157 CB VAL A 12 -13.562 4.735 -8.195 1.00 0.00 C ATOM 158 CG1 VAL A 12 -14.496 5.937 -8.046 1.00 0.00 C ATOM 159 CG2 VAL A 12 -13.055 4.612 -9.635 1.00 0.00 C ATOM 0 H VAL A 12 -13.842 4.292 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.625 4.143 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.133 3.836 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.316 5.851 -8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.897 5.963 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.941 6.855 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.904 4.554 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.450 5.484 -9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.450 3.711 -9.732 1.00 0.00 H new ATOM 169 N HIS A 13 -12.131 6.927 -6.070 1.00 0.00 N ATOM 170 CA HIS A 13 -11.622 8.273 -5.867 1.00 0.00 C ATOM 171 C HIS A 13 -10.273 8.206 -5.147 1.00 0.00 C ATOM 172 O HIS A 13 -9.238 8.528 -5.730 1.00 0.00 O ATOM 173 CB HIS A 13 -12.646 9.135 -5.126 1.00 0.00 C ATOM 174 CG HIS A 13 -13.386 10.108 -6.015 1.00 0.00 C ATOM 175 ND1 HIS A 13 -14.524 10.781 -5.606 1.00 0.00 N ATOM 176 CD2 HIS A 13 -13.138 10.512 -7.294 1.00 0.00 C ATOM 177 CE1 HIS A 13 -14.934 11.551 -6.602 1.00 0.00 C ATOM 178 NE2 HIS A 13 -14.075 11.383 -7.648 1.00 0.00 N ATOM 0 H HIS A 13 -12.764 6.596 -5.342 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.458 8.754 -6.831 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.369 8.483 -4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.136 9.692 -4.340 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.318 10.180 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.798 12.199 -6.589 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.142 11.849 -8.553 1.00 0.00 H new ATOM 186 N HIS A 14 -10.327 7.788 -3.891 1.00 0.00 N ATOM 187 CA HIS A 14 -9.123 7.676 -3.087 1.00 0.00 C ATOM 188 C HIS A 14 -7.904 7.546 -4.002 1.00 0.00 C ATOM 189 O HIS A 14 -6.960 8.326 -3.898 1.00 0.00 O ATOM 190 CB HIS A 14 -9.241 6.521 -2.089 1.00 0.00 C ATOM 191 CG HIS A 14 -8.391 6.688 -0.853 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.583 5.939 0.294 1.00 0.00 N ATOM 193 CD2 HIS A 14 -7.344 7.524 -0.598 1.00 0.00 C ATOM 194 CE1 HIS A 14 -7.686 6.316 1.195 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.920 7.299 0.640 1.00 0.00 N ATOM 0 H HIS A 14 -11.187 7.523 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.993 8.581 -2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.284 6.419 -1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.960 5.593 -2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.930 8.246 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.580 5.915 2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.148 7.782 1.100 1.00 0.00 H new ATOM 203 N GLN A 15 -7.966 6.554 -4.878 1.00 0.00 N ATOM 204 CA GLN A 15 -6.878 6.313 -5.812 1.00 0.00 C ATOM 205 C GLN A 15 -6.426 7.626 -6.451 1.00 0.00 C ATOM 206 O GLN A 15 -5.333 7.703 -7.012 1.00 0.00 O ATOM 207 CB GLN A 15 -7.288 5.295 -6.880 1.00 0.00 C ATOM 208 CG GLN A 15 -6.094 4.905 -7.752 1.00 0.00 C ATOM 209 CD GLN A 15 -5.384 3.671 -7.190 1.00 0.00 C ATOM 210 OE1 GLN A 15 -4.225 3.710 -6.809 1.00 0.00 O ATOM 211 NE2 GLN A 15 -6.141 2.579 -7.158 1.00 0.00 N ATOM 0 H GLN A 15 -8.751 5.908 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.037 5.893 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.699 4.406 -6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.077 5.715 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.432 4.703 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.393 5.738 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.104 2.616 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.759 1.704 -6.799 1.00 0.00 H new ATOM 218 N LYS A 16 -7.286 8.627 -6.344 1.00 0.00 N ATOM 219 CA LYS A 16 -6.988 9.933 -6.906 1.00 0.00 C ATOM 220 C LYS A 16 -5.498 10.231 -6.730 1.00 0.00 C ATOM 221 O LYS A 16 -4.804 10.538 -7.700 1.00 0.00 O ATOM 222 CB LYS A 16 -7.902 10.999 -6.297 1.00 0.00 C ATOM 223 CG LYS A 16 -7.873 12.285 -7.126 1.00 0.00 C ATOM 224 CD LYS A 16 -7.773 11.972 -8.621 1.00 0.00 C ATOM 225 CE LYS A 16 -8.999 11.193 -9.102 1.00 0.00 C ATOM 226 NZ LYS A 16 -9.388 11.627 -10.462 1.00 0.00 N ATOM 0 H LYS A 16 -8.190 8.560 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.192 9.942 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.923 10.620 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.587 11.213 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.774 12.867 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.025 12.899 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.683 12.900 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.870 11.393 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.781 10.125 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.829 11.348 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.222 11.088 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.616 12.642 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.600 11.456 -11.119 1.00 0.00 H new ATOM 236 N LEU A 17 -5.048 10.129 -5.489 1.00 0.00 N ATOM 237 CA LEU A 17 -3.652 10.382 -5.175 1.00 0.00 C ATOM 238 C LEU A 17 -2.934 9.050 -4.952 1.00 0.00 C ATOM 239 O LEU A 17 -1.915 8.777 -5.584 1.00 0.00 O ATOM 240 CB LEU A 17 -3.535 11.349 -3.996 1.00 0.00 C ATOM 241 CG LEU A 17 -2.325 12.285 -4.012 1.00 0.00 C ATOM 242 CD1 LEU A 17 -2.561 13.505 -3.120 1.00 0.00 C ATOM 243 CD2 LEU A 17 -1.047 11.535 -3.630 1.00 0.00 C ATOM 0 H LEU A 17 -5.626 9.874 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.157 10.875 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.439 11.957 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.506 10.766 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.192 12.652 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.685 14.153 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.431 14.055 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.735 13.178 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.202 12.223 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.154 11.120 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.873 10.727 -4.341 1.00 0.00 H new ATOM 254 N VAL A 18 -3.493 8.257 -4.050 1.00 0.00 N ATOM 255 CA VAL A 18 -2.919 6.960 -3.734 1.00 0.00 C ATOM 256 C VAL A 18 -2.086 6.473 -4.923 1.00 0.00 C ATOM 257 O VAL A 18 -0.978 5.971 -4.743 1.00 0.00 O ATOM 258 CB VAL A 18 -4.025 5.980 -3.340 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.712 5.311 -1.999 1.00 0.00 C ATOM 260 CG2 VAL A 18 -5.386 6.676 -3.299 1.00 0.00 C ATOM 0 H VAL A 18 -4.338 8.488 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.250 7.037 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.069 5.202 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.514 4.619 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.772 4.765 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.627 6.072 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.154 5.956 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.359 7.484 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.616 7.084 -4.283 1.00 0.00 H new ATOM 270 N PHE A 19 -2.652 6.641 -6.110 1.00 0.00 N ATOM 271 CA PHE A 19 -1.975 6.224 -7.326 1.00 0.00 C ATOM 272 C PHE A 19 -0.574 6.834 -7.410 1.00 0.00 C ATOM 273 O PHE A 19 0.418 6.111 -7.475 1.00 0.00 O ATOM 274 CB PHE A 19 -2.813 6.737 -8.500 1.00 0.00 C ATOM 275 CG PHE A 19 -2.718 5.869 -9.757 1.00 0.00 C ATOM 276 CD1 PHE A 19 -1.560 5.828 -10.468 1.00 0.00 C ATOM 277 CD2 PHE A 19 -3.792 5.139 -10.162 1.00 0.00 C ATOM 278 CE1 PHE A 19 -1.471 5.023 -11.634 1.00 0.00 C ATOM 279 CE2 PHE A 19 -3.703 4.334 -11.328 1.00 0.00 C ATOM 280 CZ PHE A 19 -2.545 4.293 -12.040 1.00 0.00 C ATOM 0 H PHE A 19 -3.571 7.060 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.871 5.139 -7.342 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.856 6.797 -8.190 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.495 7.750 -8.745 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.708 6.408 -10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.712 5.172 -9.597 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.551 4.990 -12.199 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.555 3.754 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.478 3.681 -12.927 1.00 0.00 H new ATOM 289 N PHE A 20 -0.539 8.160 -7.407 1.00 0.00 N ATOM 290 CA PHE A 20 0.723 8.875 -7.481 1.00 0.00 C ATOM 291 C PHE A 20 1.753 8.271 -6.524 1.00 0.00 C ATOM 292 O PHE A 20 2.934 8.179 -6.855 1.00 0.00 O ATOM 293 CB PHE A 20 0.444 10.320 -7.066 1.00 0.00 C ATOM 294 CG PHE A 20 1.190 11.363 -7.902 1.00 0.00 C ATOM 295 CD1 PHE A 20 2.549 11.365 -7.931 1.00 0.00 C ATOM 296 CD2 PHE A 20 0.493 12.286 -8.615 1.00 0.00 C ATOM 297 CE1 PHE A 20 3.241 12.333 -8.707 1.00 0.00 C ATOM 298 CE2 PHE A 20 1.184 13.256 -9.391 1.00 0.00 C ATOM 299 CZ PHE A 20 2.545 13.257 -9.419 1.00 0.00 C ATOM 0 H PHE A 20 -1.365 8.756 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 20 1.126 8.813 -8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.627 10.508 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.718 10.446 -6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.102 10.631 -7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.587 12.283 -8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.321 12.334 -8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.630 13.991 -9.957 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.072 13.993 -10.008 1.00 0.00 H new ATOM 308 N ALA A 21 1.268 7.874 -5.357 1.00 0.00 N ATOM 309 CA ALA A 21 2.132 7.283 -4.348 1.00 0.00 C ATOM 310 C ALA A 21 2.271 5.784 -4.621 1.00 0.00 C ATOM 311 O ALA A 21 3.315 5.194 -4.343 1.00 0.00 O ATOM 312 CB ALA A 21 1.565 7.573 -2.958 1.00 0.00 C ATOM 0 H ALA A 21 0.287 7.950 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 21 3.129 7.721 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.212 7.130 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.512 8.651 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.566 7.145 -2.876 1.00 0.00 H new ATOM 318 N GLU A 22 1.206 5.211 -5.161 1.00 0.00 N ATOM 319 CA GLU A 22 1.197 3.792 -5.473 1.00 0.00 C ATOM 320 C GLU A 22 2.017 3.521 -6.737 1.00 0.00 C ATOM 321 O GLU A 22 2.267 2.368 -7.084 1.00 0.00 O ATOM 322 CB GLU A 22 -0.233 3.272 -5.627 1.00 0.00 C ATOM 323 CG GLU A 22 -0.532 2.178 -4.601 1.00 0.00 C ATOM 324 CD GLU A 22 -0.130 2.622 -3.193 1.00 0.00 C ATOM 325 OE1 GLU A 22 -0.286 3.830 -2.912 1.00 0.00 O ATOM 326 OE2 GLU A 22 0.323 1.743 -2.429 1.00 0.00 O ATOM 0 H GLU A 22 0.343 5.704 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 22 1.656 3.256 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.938 4.094 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.375 2.880 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.595 1.937 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.006 1.268 -4.867 1.00 0.00 H new ATOM 331 N ASP A 23 2.412 4.605 -7.391 1.00 0.00 N ATOM 332 CA ASP A 23 3.198 4.499 -8.608 1.00 0.00 C ATOM 333 C ASP A 23 4.670 4.767 -8.285 1.00 0.00 C ATOM 334 O ASP A 23 5.542 3.981 -8.651 1.00 0.00 O ATOM 335 CB ASP A 23 2.746 5.528 -9.647 1.00 0.00 C ATOM 336 CG ASP A 23 2.609 4.992 -11.072 1.00 0.00 C ATOM 337 OD1 ASP A 23 2.616 3.749 -11.214 1.00 0.00 O ATOM 338 OD2 ASP A 23 2.501 5.835 -11.988 1.00 0.00 O ATOM 0 H ASP A 23 2.202 5.560 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 23 3.061 3.496 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.785 5.938 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.458 6.353 -9.652 1.00 0.00 H new ATOM 342 N VAL A 24 4.900 5.879 -7.603 1.00 0.00 N ATOM 343 CA VAL A 24 6.250 6.260 -7.226 1.00 0.00 C ATOM 344 C VAL A 24 6.932 5.081 -6.529 1.00 0.00 C ATOM 345 O VAL A 24 7.942 4.571 -7.013 1.00 0.00 O ATOM 346 CB VAL A 24 6.215 7.525 -6.367 1.00 0.00 C ATOM 347 CG1 VAL A 24 5.279 7.349 -5.170 1.00 0.00 C ATOM 348 CG2 VAL A 24 7.623 7.916 -5.908 1.00 0.00 C ATOM 0 H VAL A 24 4.174 6.529 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 24 6.841 6.500 -8.110 1.00 0.00 H new ATOM 0 HB VAL A 24 5.825 8.336 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.273 8.263 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.270 7.140 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.627 6.519 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.570 8.818 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.052 7.105 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.251 8.103 -6.779 1.00 0.00 H new ATOM 358 N GLY A 25 6.355 4.685 -5.404 1.00 0.00 N ATOM 359 CA GLY A 25 6.895 3.576 -4.637 1.00 0.00 C ATOM 360 C GLY A 25 6.721 2.254 -5.387 1.00 0.00 C ATOM 361 O GLY A 25 7.362 1.259 -5.053 1.00 0.00 O ATOM 0 H GLY A 25 5.519 5.112 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.953 3.748 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.393 3.519 -3.671 1.00 0.00 H new ATOM 365 N SER A 26 5.852 2.287 -6.386 1.00 0.00 N ATOM 366 CA SER A 26 5.586 1.103 -7.184 1.00 0.00 C ATOM 367 C SER A 26 5.767 1.424 -8.670 1.00 0.00 C ATOM 368 O SER A 26 4.859 1.204 -9.471 1.00 0.00 O ATOM 369 CB SER A 26 4.177 0.568 -6.926 1.00 0.00 C ATOM 370 OG SER A 26 4.182 -0.825 -6.623 1.00 0.00 O ATOM 0 H SER A 26 5.323 3.115 -6.661 1.00 0.00 H new ATOM 0 HA SER A 26 6.297 0.329 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.726 1.117 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.555 0.746 -7.803 1.00 0.00 H new ATOM 0 HG SER A 26 3.264 -1.128 -6.463 1.00 0.00 H new ATOM 375 N ASN A 27 6.943 1.939 -8.993 1.00 0.00 N ATOM 376 CA ASN A 27 7.255 2.292 -10.367 1.00 0.00 C ATOM 377 C ASN A 27 6.826 1.150 -11.293 1.00 0.00 C ATOM 378 O ASN A 27 6.542 1.373 -12.469 1.00 0.00 O ATOM 379 CB ASN A 27 8.757 2.512 -10.554 1.00 0.00 C ATOM 380 CG ASN A 27 9.034 3.422 -11.753 1.00 0.00 C ATOM 381 OD1 ASN A 27 8.134 3.943 -12.390 1.00 0.00 O ATOM 382 ND2 ASN A 27 10.326 3.583 -12.023 1.00 0.00 N ATOM 0 H ASN A 27 7.693 2.121 -8.326 1.00 0.00 H new ATOM 0 HA ASN A 27 6.724 3.213 -10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.178 2.955 -9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.253 1.552 -10.699 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.614 4.172 -12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.029 3.117 -11.449 1.00 0.00 H new ATOM 388 N LYS A 28 6.795 -0.047 -10.726 1.00 0.00 N ATOM 389 CA LYS A 28 6.407 -1.224 -11.485 1.00 0.00 C ATOM 390 C LYS A 28 5.136 -0.917 -12.279 1.00 0.00 C ATOM 391 O LYS A 28 5.076 -1.168 -13.481 1.00 0.00 O ATOM 392 CB LYS A 28 6.278 -2.438 -10.563 1.00 0.00 C ATOM 393 CG LYS A 28 7.654 -2.950 -10.133 1.00 0.00 C ATOM 394 CD LYS A 28 8.133 -4.074 -11.055 1.00 0.00 C ATOM 395 CE LYS A 28 9.263 -4.872 -10.403 1.00 0.00 C ATOM 396 NZ LYS A 28 10.447 -4.012 -10.184 1.00 0.00 N ATOM 0 H LYS A 28 7.032 -0.227 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 28 7.180 -1.483 -12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.695 -2.170 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.735 -3.232 -11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.372 -2.130 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.607 -3.312 -9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.301 -4.738 -11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.478 -3.653 -11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.924 -5.283 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.532 -5.717 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.252 -4.599 -9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.687 -3.520 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.235 -3.311 -9.445 1.00 0.00 H new ATOM 406 N GLY A 29 4.152 -0.379 -11.574 1.00 0.00 N ATOM 407 CA GLY A 29 2.885 -0.036 -12.198 1.00 0.00 C ATOM 408 C GLY A 29 3.036 1.186 -13.106 1.00 0.00 C ATOM 409 O GLY A 29 2.402 1.264 -14.159 1.00 0.00 O ATOM 0 H GLY A 29 4.206 -0.172 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.520 -0.883 -12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.140 0.167 -11.429 1.00 0.00 H new ATOM 413 N ALA A 30 3.878 2.109 -12.668 1.00 0.00 N ATOM 414 CA ALA A 30 4.120 3.325 -13.429 1.00 0.00 C ATOM 415 C ALA A 30 4.862 2.972 -14.719 1.00 0.00 C ATOM 416 O ALA A 30 5.152 3.849 -15.532 1.00 0.00 O ATOM 417 CB ALA A 30 4.891 4.324 -12.565 1.00 0.00 C ATOM 0 H ALA A 30 4.402 2.041 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 30 3.179 3.798 -13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.072 5.235 -13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.307 4.563 -11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.844 3.887 -12.267 1.00 0.00 H new ATOM 423 N ILE A 31 5.152 1.688 -14.867 1.00 0.00 N ATOM 424 CA ILE A 31 5.856 1.209 -16.045 1.00 0.00 C ATOM 425 C ILE A 31 5.111 1.667 -17.300 1.00 0.00 C ATOM 426 O ILE A 31 5.732 2.077 -18.280 1.00 0.00 O ATOM 427 CB ILE A 31 6.059 -0.305 -15.969 1.00 0.00 C ATOM 428 CG1 ILE A 31 7.149 -0.662 -14.956 1.00 0.00 C ATOM 429 CG2 ILE A 31 6.350 -0.888 -17.353 1.00 0.00 C ATOM 430 CD1 ILE A 31 8.541 -0.368 -15.521 1.00 0.00 C ATOM 0 H ILE A 31 4.912 0.964 -14.190 1.00 0.00 H new ATOM 0 HA ILE A 31 6.856 1.640 -16.092 1.00 0.00 H new ATOM 0 HB ILE A 31 5.132 -0.757 -15.617 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.998 -0.094 -14.038 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.075 -1.717 -14.693 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.490 -1.966 -17.272 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.512 -0.680 -18.019 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.255 -0.434 -17.756 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.297 -0.631 -14.781 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.698 -0.956 -16.425 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.620 0.693 -15.760 1.00 0.00 H new ATOM 441 N ILE A 32 3.790 1.583 -17.230 1.00 0.00 N ATOM 442 CA ILE A 32 2.954 1.984 -18.349 1.00 0.00 C ATOM 443 C ILE A 32 2.673 3.486 -18.257 1.00 0.00 C ATOM 444 O ILE A 32 3.390 4.215 -17.572 1.00 0.00 O ATOM 445 CB ILE A 32 1.690 1.124 -18.408 1.00 0.00 C ATOM 446 CG1 ILE A 32 1.920 -0.235 -17.744 1.00 0.00 C ATOM 447 CG2 ILE A 32 1.191 0.981 -19.848 1.00 0.00 C ATOM 448 CD1 ILE A 32 1.456 -0.218 -16.286 1.00 0.00 C ATOM 0 H ILE A 32 3.278 1.243 -16.416 1.00 0.00 H new ATOM 0 HA ILE A 32 3.472 1.813 -19.293 1.00 0.00 H new ATOM 0 HB ILE A 32 0.906 1.630 -17.844 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.381 -1.008 -18.292 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.978 -0.492 -17.790 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.292 0.365 -19.862 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.962 1.967 -20.253 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.963 0.509 -20.456 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.631 -1.196 -15.837 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.014 0.539 -15.735 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.392 0.015 -16.245 1.00 0.00 H new ATOM 459 N GLY A 33 1.629 3.904 -18.957 1.00 0.00 N ATOM 460 CA GLY A 33 1.244 5.304 -18.965 1.00 0.00 C ATOM 461 C GLY A 33 2.396 6.187 -19.446 1.00 0.00 C ATOM 462 O GLY A 33 3.561 5.904 -19.165 1.00 0.00 O ATOM 0 H GLY A 33 1.037 3.296 -19.523 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.379 5.443 -19.614 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.943 5.608 -17.962 1.00 0.00 H new ATOM 466 N LEU A 34 2.035 7.240 -20.164 1.00 0.00 N ATOM 467 CA LEU A 34 3.024 8.166 -20.687 1.00 0.00 C ATOM 468 C LEU A 34 3.685 7.555 -21.924 1.00 0.00 C ATOM 469 O LEU A 34 4.214 8.275 -22.770 1.00 0.00 O ATOM 470 CB LEU A 34 4.016 8.565 -19.593 1.00 0.00 C ATOM 471 CG LEU A 34 5.481 8.203 -19.851 1.00 0.00 C ATOM 472 CD1 LEU A 34 6.071 9.073 -20.964 1.00 0.00 C ATOM 473 CD2 LEU A 34 6.302 8.286 -18.563 1.00 0.00 C ATOM 0 H LEU A 34 1.069 7.473 -20.396 1.00 0.00 H new ATOM 0 HA LEU A 34 2.547 9.093 -21.005 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.949 9.643 -19.445 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.705 8.096 -18.660 1.00 0.00 H new ATOM 0 HG LEU A 34 5.523 7.169 -20.192 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.112 8.797 -21.128 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.506 8.921 -21.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.016 10.122 -20.674 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.339 8.024 -18.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.258 9.301 -18.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.896 7.592 -17.827 1.00 0.00 H new ATOM 484 N MET A 35 3.633 6.233 -21.990 1.00 0.00 N ATOM 485 CA MET A 35 4.221 5.517 -23.109 1.00 0.00 C ATOM 486 C MET A 35 3.249 4.470 -23.661 1.00 0.00 C ATOM 487 O MET A 35 3.594 3.716 -24.571 1.00 0.00 O ATOM 488 CB MET A 35 5.509 4.826 -22.656 1.00 0.00 C ATOM 489 CG MET A 35 6.730 5.702 -22.943 1.00 0.00 C ATOM 490 SD MET A 35 8.225 4.742 -22.770 1.00 0.00 S ATOM 491 CE MET A 35 9.441 5.991 -23.155 1.00 0.00 C ATOM 0 H MET A 35 3.193 5.639 -21.287 1.00 0.00 H new ATOM 0 HA MET A 35 4.442 6.235 -23.898 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.454 4.610 -21.589 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.614 3.870 -23.170 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.665 6.111 -23.951 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.750 6.548 -22.256 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.439 5.558 -23.093 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.270 6.367 -24.164 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.357 6.812 -22.443 1.00 0.00 H new ATOM 499 N VAL A 36 2.056 4.458 -23.087 1.00 0.00 N ATOM 500 CA VAL A 36 1.032 3.516 -23.511 1.00 0.00 C ATOM 501 C VAL A 36 1.162 3.270 -25.016 1.00 0.00 C ATOM 502 O VAL A 36 0.879 2.174 -25.496 1.00 0.00 O ATOM 503 CB VAL A 36 -0.351 4.031 -23.106 1.00 0.00 C ATOM 504 CG1 VAL A 36 -1.414 2.943 -23.283 1.00 0.00 C ATOM 505 CG2 VAL A 36 -0.341 4.560 -21.670 1.00 0.00 C ATOM 0 H VAL A 36 1.774 5.084 -22.333 1.00 0.00 H new ATOM 0 HA VAL A 36 1.166 2.556 -23.013 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.606 4.860 -23.766 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.388 3.334 -22.988 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.448 2.634 -24.328 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.164 2.085 -22.659 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.336 4.920 -21.408 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.054 3.759 -20.989 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.374 5.379 -21.589 1.00 0.00 H new ATOM 515 N GLY A 37 1.590 4.310 -25.718 1.00 0.00 N ATOM 516 CA GLY A 37 1.760 4.221 -27.158 1.00 0.00 C ATOM 517 C GLY A 37 2.860 5.169 -27.639 1.00 0.00 C ATOM 518 O GLY A 37 3.894 4.724 -28.137 1.00 0.00 O ATOM 0 H GLY A 37 1.824 5.218 -25.316 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.010 3.197 -27.436 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.821 4.466 -27.655 1.00 0.00 H new ATOM 522 N GLY A 38 2.601 6.457 -27.475 1.00 0.00 N ATOM 523 CA GLY A 38 3.557 7.471 -27.888 1.00 0.00 C ATOM 524 C GLY A 38 3.538 8.664 -26.928 1.00 0.00 C ATOM 525 O GLY A 38 4.160 9.690 -27.197 1.00 0.00 O ATOM 0 H GLY A 38 1.743 6.823 -27.062 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.558 7.041 -27.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.322 7.808 -28.898 1.00 0.00 H new ATOM 529 N VAL A 39 2.817 8.489 -25.830 1.00 0.00 N ATOM 530 CA VAL A 39 2.709 9.537 -24.830 1.00 0.00 C ATOM 531 C VAL A 39 1.522 10.441 -25.173 1.00 0.00 C ATOM 532 O VAL A 39 0.987 11.125 -24.301 1.00 0.00 O ATOM 533 CB VAL A 39 4.030 10.301 -24.728 1.00 0.00 C ATOM 534 CG1 VAL A 39 4.087 11.129 -23.443 1.00 0.00 C ATOM 535 CG2 VAL A 39 5.223 9.347 -24.818 1.00 0.00 C ATOM 0 H VAL A 39 2.302 7.636 -25.611 1.00 0.00 H new ATOM 0 HA VAL A 39 2.520 9.108 -23.846 1.00 0.00 H new ATOM 0 HB VAL A 39 4.085 10.988 -25.572 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.037 11.662 -23.395 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.267 11.847 -23.436 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.998 10.469 -22.580 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.150 9.916 -24.743 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.173 8.624 -24.003 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.197 8.820 -25.772 1.00 0.00 H new ATOM 545 N VAL A 40 1.144 10.414 -26.441 1.00 0.00 N ATOM 546 CA VAL A 40 0.031 11.221 -26.910 1.00 0.00 C ATOM 547 C VAL A 40 -1.009 11.345 -25.793 1.00 0.00 C ATOM 548 O VAL A 40 -0.979 12.299 -25.017 1.00 0.00 O ATOM 549 CB VAL A 40 -0.543 10.626 -28.197 1.00 0.00 C ATOM 550 CG1 VAL A 40 -1.810 11.368 -28.627 1.00 0.00 C ATOM 551 CG2 VAL A 40 0.501 10.630 -29.316 1.00 0.00 C ATOM 0 H VAL A 40 1.590 9.845 -27.160 1.00 0.00 H new ATOM 0 HA VAL A 40 0.367 12.228 -27.156 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.814 9.590 -27.995 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.197 10.925 -29.544 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.561 11.291 -27.841 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.575 12.418 -28.802 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.067 10.202 -30.220 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.817 11.654 -29.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.363 10.037 -29.011 1.00 0.00 H new ATOM 561 N ILE A 41 -1.900 10.368 -25.749 1.00 0.00 N ATOM 562 CA ILE A 41 -2.946 10.355 -24.740 1.00 0.00 C ATOM 563 C ILE A 41 -3.139 11.771 -24.194 1.00 0.00 C ATOM 564 O ILE A 41 -3.286 12.721 -24.961 1.00 0.00 O ATOM 565 CB ILE A 41 -2.637 9.316 -23.659 1.00 0.00 C ATOM 566 CG1 ILE A 41 -2.087 8.028 -24.279 1.00 0.00 C ATOM 567 CG2 ILE A 41 -3.863 9.053 -22.784 1.00 0.00 C ATOM 568 CD1 ILE A 41 -1.568 7.079 -23.198 1.00 0.00 C ATOM 0 H ILE A 41 -1.920 9.579 -26.395 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.895 10.050 -25.180 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.860 9.719 -23.010 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.869 7.535 -24.856 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.282 8.269 -24.974 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.616 8.311 -22.025 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.170 9.980 -22.299 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.679 8.680 -23.403 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.183 6.172 -23.664 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.770 7.567 -22.639 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.381 6.821 -22.519 1.00 0.00 H new ATOM 579 N ALA A 42 -3.134 11.867 -22.873 1.00 0.00 N ATOM 580 CA ALA A 42 -3.305 13.151 -22.214 1.00 0.00 C ATOM 581 C ALA A 42 -4.626 13.778 -22.668 1.00 0.00 C ATOM 582 O ALA A 42 -5.641 13.091 -22.770 1.00 0.00 O ATOM 583 CB ALA A 42 -2.102 14.045 -22.516 1.00 0.00 C ATOM 0 H ALA A 42 -3.014 11.076 -22.240 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.353 13.025 -21.132 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.231 15.008 -22.021 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.193 13.568 -22.150 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.023 14.198 -23.592 1.00 0.00 H new TER 589 ALA A 42